REMARK Name = BDB049083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.202 0.521 -1.194 0.00 0.00 +0.044 C ATOM 2 C LIG 1 2.428 0.584 0.092 0.00 0.00 -0.038 A ATOM 3 C LIG 1 3.022 0.948 1.313 0.00 0.00 +0.040 A ATOM 4 C LIG 1 2.253 1.058 2.475 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.891 0.759 2.442 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.277 0.344 1.250 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.056 0.272 0.083 0.00 0.00 +0.008 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -1.212 0.038 1.259 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -1.703 -1.228 0.505 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -3.170 -0.846 0.143 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -3.335 0.582 0.432 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -1.999 1.152 0.557 0.00 0.00 +0.094 C BRANCH 9 13 ATOM 13 N LIG 1 -1.605 -2.531 1.208 0.00 0.00 -0.304 NA ATOM 14 C LIG 1 -2.030 -3.636 0.342 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -0.263 -2.806 1.721 0.00 0.00 +0.104 C ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 C LIG 1 -4.196 1.315 -0.495 0.00 0.00 +0.122 C BRANCH 16 17 ATOM 17 C LIG 1 -5.650 0.898 -0.420 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.369 1.197 0.749 0.00 0.00 +0.128 A ATOM 19 F LIG 1 -5.778 1.867 1.750 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -7.704 0.836 0.903 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -8.358 0.167 -0.124 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -7.673 -0.127 -1.304 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.322 0.235 -1.471 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -5.652 -0.083 -2.780 0.00 0.00 +0.044 C ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 8 BRANCH 3 25 ATOM 25 C LIG 1 4.467 1.248 1.434 0.00 0.00 +0.245 C ATOM 26 N LIG 1 5.303 0.206 1.110 0.00 0.00 -0.307 N ATOM 27 H LIG 1 4.904 -0.661 0.777 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 4.839 2.347 1.826 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 6.736 0.368 1.049 0.00 0.00 +0.140 C BRANCH 29 30 ATOM 30 C LIG 1 7.179 0.589 -0.372 0.00 0.00 -0.027 A ATOM 31 C LIG 1 7.643 -0.468 -1.158 0.00 0.00 +0.025 A ATOM 32 C LIG 1 8.003 -0.209 -2.472 0.00 0.00 +0.111 A ATOM 33 N LIG 1 7.926 1.010 -3.047 0.00 0.00 -0.263 NA ATOM 34 C LIG 1 7.471 2.018 -2.271 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.089 1.859 -0.949 0.00 0.00 +0.025 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 7